3-(dodecanoylamino)propyl-dimethyl-[2-(3-methyl-5-phenyl-pentoxy)-2-oxidanylidene-ethyl]azanium chloride

Systemtic Name: 3-(dodecanoylamino)propyl-dimethyl-[2-(3-methyl-5-phenyl-pentoxy)-2-oxidanylidene-ethyl]azanium chloride Openeye Name: 3-(dodecanoylamino)propyl-dimethyl-[2-(3-methyl-5-phenyl-pentoxy)-2-oxo-ethyl]ammonium chloride CAS Name: dimethyl-[2-(3-methyl-5-phenylpentoxy)-2-oxoethyl]-[3-(1-oxododecylamino)propyl]ammonium chloride IUPAC Name: 3-(dodecanoylamino)propyl-dimethyl-[2-(3-methyl-5-phenylpentoxy)-2-oxoethyl]azanium chloride Traditional Name: [2-keto-2-(3-methyl-5-phenyl-pentoxy)ethyl]-[3-(lauroylamino)propyl]-dimethyl-ammonium chloride Formula: C31H55ClN2O3 MolecularWeight: 539.233

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCC(C)CCC1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)OCCC(C)CCC1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C31H54N2O3.ClH/c1-5-6-7-8-9-10-11-12-16-20-30(34)32-24-17-25-33(3,4)27-31(35)36-26-23-28(2)21-22-29-18-14-13-15-19-29;/h13-15,18-19,28H,5-12,16-17,20-27H2,1-4H3;1H